84624-03-3

Basic information

• Product Name: (C₅Me₅)Rh(PMe₃)(H)2
• Synonyms: (C₅Me₅)Rh(PMe₃)(H)2
• CAS NO: 84624-03-3
• Molecular Weight: 316.229
• Mol File: 84624-03-3.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: (C₅Me₅)Rh(PMe₃)(H)2(CAS DataBase Reference)
• NIST Chemistry Reference: (C₅Me₅)Rh(PMe₃)(H)2(84624-03-3)
• EPA Substance Registry System: (C₅Me₅)Rh(PMe₃)(H)2(84624-03-3)

Safety Data

• Hazardous Substances Data: 84624-03-3(Hazardous Substances Data)

Upstream product

• 88704-29-4 (C₅(CH₃)5)Rh(P(CH₃)3)(C₆H₅)I 
• 67335-72-2 LiHB(s-Bu)3 
• 88704-30-7 (C₅(CH₃)5)Rh(P(CH₃)3)(CH₃C⁽²⁾H₃C₆H₃)Br 
• 81971-45-1 (C₅(CH₃)5)Rh(P(CH₃)3)(CH₃C₆H₄)Br 

Downstream Products

• 81971-46-2 [Rh(H)(Ph)(η5-pentamethylcyclopentadienyl)(PMe3)] 
• 104338-05-8 (η5-methylcyclopentadienyl)(trimethylphosphine)(cyclohexyl)rhodium hydride 
• 433927-23-2 Rh(C₅(CH₃)5)H₂P(CH₃)3H⁽¹⁺⁾*B(C₆H₃(CF₃)2)4^(1-)=Rh(C₅(CH₃)5)H₂P(CH₃)3HB(C₆H₃(CF₃)2)4 
• 150746-29-5 (C5Me5)Rh(PMe3)(η2-styrene) complex 
• 81971-45-1 (C₅(CH₃)5)Rh(P(CH₃)3)(CH₃C₆H₄)Br 
• 194661-74-0 (C₅(CH₃)5)Rh(P(CH₃)3)(C₆F₅)H 
• 194661-75-1 (C₅(CH₃)5)Rh(P(CH₃)3)(C₆F₄H)H 
• 194661-76-2 (C₅Me₅)Rh(PMe₃)(4-perfluorobiphenyl)H 
• 7664-39-3 hydrogen fluoride 
• 86224-86-4 (C₅(CH₃)5)Rh(P(CH₃)3)2H⁽¹⁺⁾ 
• 88704-28-3 Cp*RhCl(Ph)(PMe₃) 

Relevant articles and documents

Selectivity in the activation of fluorinated aromatic hydrocarbons by [(C5H5)Rh(PMe3)] and [(C5Me5)Rh(PMe3)]

Thermolysis of (C5Me5)Rh(PMe3)(Ph)H (1) in neat fluorobenzene, o-difluorobenzene, p-difluorobenzene, or 1,3,5-trifluorobenzene results in the formation of the new aryl hydride complexes (C5Me5)Rh(PMe3)(arylF)H (arylF = 2-C6H4F, 2,3-C6H3F2, 2,5-C6H3F2, or 2,4,6-C6H2F3). Short term thermolysis of 1 in m-difluorobenzene produces a kinetic mixture of products resulting from activation of all possible C-H bond positions. Continued thermolysis of this mixture results in exclusive formation of the thermodynamic product (C5Me5)Rh(PMe3)(2,6-C6H 3F2) H. Irradiation of (C6Me5)Rh(PMe3)H2 in o-difluorobenzene at -30 °C gives both (C5Me5)-Rh(PMe3)(2,3-C6H 3F2)H and (C5Me5)Rh(PMe3)(3,4-C6H 3F2)H as the kinetic products. Thermolysis of this mixture results in exclusive formation of the thermodynamic product (C5Me5)-Rh(PMe3)(2,3-C6H 3F2)H. These aryl hydrides are readily converted to their bromo derivatives by reaction with bromoform. Photochemical reaction of (C5H5)Rh(PMe3)(C2H4) (2) with o-, m-, and p-difluorobenzene, 1,3,5-trifluorobenzene, 1,2,4,5-tetrafluorobenzene, or pentafluorobenzene at room temperature gives single aryl hydride products (C5H5)Rh(PMe3)(arylF)H (arylF = 2,3-C6H3F2, 2,6-C6H3F2, 2,5-C6H3F2, 2,4,6-C6H2F3, 2,3,5,6-C6HF4, or C6F5) in which C-H insertion occurs adjacent to a fluorine. Photochemical reaction of 2 with α,α,α-trifluorotoluene gives both m- and p-trifluorotolyl insertion products. These compounds are also converted to their bromo derivatives by reaction with bromoform. Photochemical reaction of 2 with 2,3,4,5,6-pentafluorotoluene gives an η2-arene complex with metal coordination in the 3,4 positions. The (C5Me5)Rh(PMe3) (arylF)Br complexes were structurally characterized. (C5Me5)Rh(PMe3) (2,3-C6F2H3) crystallizes in monoclinic space group C2/c (No. 15) with Z = 8, a = 14.071(9) A?, b = 9.640(5) A?, c = 30.774(12) A?, β = 97.48(4)°, and V = 4139(7) A?3. (C5Me5)Rh(PMe3)(2,4-C6F 2H3) crystallizes in monoclinic space group C2/c (No. 15) with Z = 8, a = 14.073(8) A?, b = 9.505(3) A?, c = 30.910(10) A?, β = 97.30(5)°, and V = 4101(5) A?3, and also in monoclinic space group P21/c (No. 14) with Z = 4, a = 9.401(6) A?, b = 11.595(4) A?, c = 18.809(8) A?, β = 91.38(4)°, and V = 2049(3) A?3. (C5Me5)Rh(PMe3)(2,4,6-C6F 3H3) crystallizes in monoclinic space group C2/c (No. 15) with Z = 8, a = 14.263(9) A?, b = 9.492(2) A?, c = 30.917(17) A?, β = 97.99(2)°, and V = 4145(6) A?3.